3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol

C13H16BrF2NO — CID 113262533

IUPAC3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol
SMILESOC(CNC1CCc2cc(Br)ccc2C1)C(F)F
InChIInChI=1S/C13H16BrF2NO/c14-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(18)13(15)16/h1,3,5,11-13,17-18H,2,4,6-7H2
InChIKeyLIKMPIGICYOFML-UHFFFAOYSA-N
MW320.18 g/mol
LogP2.52
Rot. Bonds4

About 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol

3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol (PubChem CID 113262533) has the molecular formula C13H16BrF2NO and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol
PubChem CID113262533
Molecular FormulaC13H16BrF2NO
Molecular Weight320.18 g/mol
Exact Mass319.04
IUPAC Name3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol
SMILESOC(CNC1CCc2cc(Br)ccc2C1)C(F)F
InChIInChI=1S/C13H16BrF2NO/c14-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(18)13(15)16/h1,3,5,11-13,17-18H,2,4,6-7H2
InChIKeyLIKMPIGICYOFML-UHFFFAOYSA-N
XLogP2.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol (CID 113262533) is 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol is OC(CNC1CCc2cc(Br)ccc2C1)C(F)F.
What is the InChIKey of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol?
The InChIKey is LIKMPIGICYOFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrF2NO/c14-10-3-1-9-6-11(4-2-8(9)5-10)17-7-12(18)13(15)16/h1,3,5,11-13,17-18H,2,4,6-7H2.
What are the key properties of 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol?
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol has a molecular weight of 320.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 113262533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).